Tetrachloroterephthalonitrile - ≥98% , CAS No.1897-41-2

CAS: 1897-41-2 Cat. No.: T103142 Peso molecular: 265.91 Número EC: 401-550-8 PubChem CID: 74694

GRADE & PURITY ≥98%

Synonyms

Tetrachloroterephthalonitrile | Perchloroterephthalonitrile | 1,4-dicyano-2,3,5,6-tetra-chloro-benzene | MFCD00059583 | 1,4-Benzenedicarbonitrile, 2,3,5,6-tetrachloro- | AS-15862 | 2,3,5,6-tetrachlorobenzene-1,4-dicarbonitrile | 2,3,5,6-tetrakis(chloranyl

Storage

Room temperature

Shipped In

Normal

Descripción general

product description：

Tetrachloroterephthalonitrile (TCTPN), a dinitrile derivative, is an isomer of chloranil. The halogen bond of TCTPN has been studied using 35Cl solid-state NMR.

application：

Tetrachloroterephthalonitrile may be used to synthesize 2-aminotrifluoroterephthalonitriles.

Specifications

Sinónimos

Tetrachloroterephthalonitrile | Perchloroterephthalonitrile | 1, 4-dicyano-2, 3, 5, 6-tetra-chloro-benzene | MFCD00059583 | 1, 4-Benzenedicarbonitrile, 2, 3, 5, 6-tetrachloro- | AS-15862 | 2, 3, 5, 6-tetrachlorobenzene-1, 4-dicarbonitrile | 2, 3, 5, 6-tetrakis(chloranyl

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488184968
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184968
• Sonrisas canónicas: C(#N)C1=C(C(=C(C(=C1Cl)Cl)C#N)Cl)Cl
• IUPAC Name: 2,3,5,6-tetrachlorobenzene-1,4-dicarbonitrile
• InChIKey: TXRVDQMSXQKAPG-UHFFFAOYSA-N
• INCHI: 1S/C8Cl4N2/c9-5-3(1-13)6(10)8(12)4(2-14)7(5)11
• Isómeros SMILES: C(#N)C1=C(C(=C(C(=C1Cl)Cl)C#N)Cl)Cl
• WGK Alemania: 1
• RTECS: TI8275000
• PubChem CID: 74694
• Peso molecular: 265.91
• Reaxy-Rn: 2054560

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzonitriles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzonitriles
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzonitriles
• Alternative Parents: Chlorobenzenes Aryl chlorides Nitriles Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzonitrile - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Objetivos asociados (no humanos)

Mus musculus (284745 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 308-312 °C
• Peso molecular: 265.900 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 265.879 Da
• Monoisotopic Mass: 263.882 Da
• Topological Polar Surface Area: 47.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 266.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1